CID 103009

3423-28-7

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC(C)N1C2CCC1CC(=O)C2

InChI

InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3

InChIKey

AKETXTOLBLTPTP-UHFFFAOYSA-N

Compound name

8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 167.13101 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.13829	138.7
[M+Na]+	190.12023	145.2
[M-H]-	166.12373	139.8
[M+NH4]+	185.16483	161.6
[M+K]+	206.09417	143.4
[M+H-H2O]+	150.12827	133.4
[M+HCOO]-	212.12921	155.6
[M+CH3COO]-	226.14486	181.3
[M+Na-2H]-	188.10568	141.3
[M]+	167.13046	136.0
[M]-	167.13156	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe